N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C16H15N3O4S — CID 3238453

IUPACN-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C16H15N3O4S/c1-10-4-3-5-11(8-10)19(2)24(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyQIYNXRUBHVWCNH-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 3238453) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID3238453
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C16H15N3O4S/c1-10-4-3-5-11(8-10)19(2)24(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyQIYNXRUBHVWCNH-UHFFFAOYSA-N
XLogP1.35
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 3238453) is N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is QIYNXRUBHVWCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10-4-3-5-11(8-10)19(2)24(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 3238453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).